2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide

C12H23N5O2 — CID 106970609

IUPAC2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
SMILESCCCNCc1nnc(N(CC(N)=O)CC(C)C)o1
InChIInChI=1S/C12H23N5O2/c1-4-5-14-6-11-15-16-12(19-11)17(7-9(2)3)8-10(13)18/h9,14H,4-8H2,1-3H3,(H2,13,18)
InChIKeyHMSYWWMWHXFYGF-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.52
Rot. Bonds9

About 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide

2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide (PubChem CID 106970609) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
PubChem CID106970609
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
SMILESCCCNCc1nnc(N(CC(N)=O)CC(C)C)o1
InChIInChI=1S/C12H23N5O2/c1-4-5-14-6-11-15-16-12(19-11)17(7-9(2)3)8-10(13)18/h9,14H,4-8H2,1-3H3,(H2,13,18)
InChIKeyHMSYWWMWHXFYGF-UHFFFAOYSA-N
XLogP0.52
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106959438
N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106969906
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585
N,N-dimethyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106960123
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 106970217
5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969811
N-[[5-(2,4-dimethylpentan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 114282336
N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106971369
N,N-diethyl-2-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964253
N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969389
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80788946

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide?
The IUPAC name of 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide (CID 106970609) is 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide?
The canonical SMILES for 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide is CCCNCc1nnc(N(CC(N)=O)CC(C)C)o1.
What is the InChIKey of 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide?
The InChIKey is HMSYWWMWHXFYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-5-14-6-11-15-16-12(19-11)17(7-9(2)3)8-10(13)18/h9,14H,4-8H2,1-3H3,(H2,13,18).
What are the key properties of 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide?
2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide has a molecular weight of 269.35 g/mol, XLogP of 0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 106970609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).